141166

Source:http://linkedlifedata.com/resource/chembl/compound/141166

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C26H26O4/c1-2-29-25(26(27)28)19-20-13-15-23(16-14-20)30-18-17-24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-17,25H,2,18-19H2,1H3,(H,27,28)/t25-/m0/s1
chemicalCompound:standardIn...	VIZRKWWMIFWRJH-VWLOTQADSA-N
chemicalCompound:canonicalS...	CCO[C@@H](Cc1ccc(OCC=C(c2ccccc2)c3ccccc3)cc1)C(=O)O
chemicalCompound:molecularF...	C26 H26 O4
chemicalCompound:moleculeId	141166
chemicalCompound:mwFreebase	402.482
chemicalCompound:alogp	5.434
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	55.76
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.603
chemicalCompound:acdLogP	3.355
chemicalCompound:acdLogD	-0.117
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	402.482
chemicalCompound:chemblId	CHEMBL314483
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:241166
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:317732, activity:317733, activity:317734, activity:317735, activity:317736, activity:317737, activity:1613067, activity:1613068, activity:1613069